Cas no 651014-84-5 (Benzenamine,3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
651014-84-5 structure
Product Name:Benzenamine,3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No:651014-84-5
MF:C19H24BNO2
MW:309.21036529541
CID:407988
PubChem ID:10357963
Update Time:2025-04-19
Benzenamine,3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- 3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- AG-G-44628
- CTK5C2153
- N-phenyl-3-BPin-5-methylaniline
- N-phenyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- DTXSID90438696
- 3-Methyl-N-phenyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline
- starbld0019393
- 651014-84-5
-
- Inchi： 1S/C19H24BNO2/c1-14-11-15(20-22-18(2,3)19(4,5)23-20)13-17(12-14)21-16-9-7-6-8-10-16/h6-13,21H,1-5H3
- InChI Key： LKSMVYIMTBTRHH-UHFFFAOYSA-N
- SMILES： O1B(C2C=C(C)C=C(C=2)NC2C=CC=CC=2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 308.19372
- Monoisotopic Mass: 309.1900092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49
Benzenamine,3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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